6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene

C29H29Cl2N3O — CID 145265419

IUPAC6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene
SMILESC=C.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCNCC3)ccnc12
InChIInChI=1S/C27H25Cl2N3O.C2H4/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(32-22-9-12-30-13-10-22)11-14-31-27(23)25(33)16-19;1-2/h1-8,11,14-16,22,26,30,33H,9-10,12-13H2,(H,31,32);1-2H2
InChIKeyAFCDKIFBBSUZER-UHFFFAOYSA-N
MW506.48 g/mol
LogP7.39
Rot. Bonds5

About 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene

6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene (PubChem CID 145265419) has the molecular formula C29H29Cl2N3O and a molecular weight of 506.48 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene
PubChem CID145265419
Molecular FormulaC29H29Cl2N3O
Molecular Weight506.48 g/mol
Exact Mass505.17
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene
SMILESC=C.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCNCC3)ccnc12
InChIInChI=1S/C27H25Cl2N3O.C2H4/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(32-22-9-12-30-13-10-22)11-14-31-27(23)25(33)16-19;1-2/h1-8,11,14-16,22,26,30,33H,9-10,12-13H2,(H,31,32);1-2H2
InChIKeyAFCDKIFBBSUZER-UHFFFAOYSA-N
XLogP7.39
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.48
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Tebuquine
CID 71991
N-[(4-chlorophenyl)(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876739
(E)-6-(4-((7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino)butyl)-3-hydroxypicolinaldehyde oxime
CID 135567444
5-Chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90664797
2-(4-Chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
CID 328159
2-[(Tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-6-cyclohexylphenol
CID 9932825
2-[[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol
CID 44568581
6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-ol
CID 118323944
7-[(2,4-Dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol
CID 135353946
8-Quinolinol, 7-amino-5-chloro-, hydrochloride
CID 3056874
2-[(7-Chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
CID 24814634
4-[(7-Chloroquinolin-4-yl)amino]-3-(diethylaminomethyl)phenol
CID 44158730

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene (CID 145265419) is 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene is C=C.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCNCC3)ccnc12.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene?
The InChIKey is AFCDKIFBBSUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O.C2H4/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(32-22-9-12-30-13-10-22)11-14-31-27(23)25(33)16-19;1-2/h1-8,11,14-16,22,26,30,33H,9-10,12-13H2,(H,31,32);1-2H2.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene?
6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene has a molecular weight of 506.48 g/mol, XLogP of 7.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-(piperidin-4-ylamino)quinolin-8-ol;ethene is sourced from PubChem (CID 145265419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).